IBD Research Resource Center

BioID	bio2559
Name	ISOFLUPREDONE ACETATE
ChEMBL ID	CHEMBL1608183
Molecular Formula	C23H29FO6
Molecular Weight	420.48
Molecular Weight (Monoisotopic)	420.1948
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	.DELTA.-FLUOROCORTISONE\|9-FLUOROPREDNISOLONE\|9.ALPHA.-FLUORO-.DELTA.1-CORTISOL\|ISOFLUPREDONA\|ISOFLUPREDONE\|ISOFLUPREDONE 21-ACETATE\|ISOFLUPREDONE ACETATE\|NSC-12174\|NSC-12600\|NSC-37977\|U-6013
Smiles	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
Inchi	InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
Inchi Key	ZOCUOMKMBMEYQV-GSLJADNHSA-N
Molecular Species	NEUTRAL
Targets	81.0
Bioactivities	159.0
Np Likeness Score	2.05
Records Key	['SID94137', 'ISOFLUPREDONE ACETATE', 'ISOFLUPREDONE', 'isoflupredone-acetate', 'ISOFLUPREDONE-ACETATE', 'SID144203988', 'SID77262', 'SID170465628', 'isoflupredone-acetate', 'Isoflupredone acetate', 'SID56463338', 'COVC-0673491608', 'isoflupredone-acetate', 'BA1000827']
Records Name	['SID94137', 'ISOFLUPREDONE ACETATE', 'ISOFLUPREDONE', 'isoflupredone-acetate', 'ISOFLUPREDONE-ACETATE', 'SID144203988', 'SID77262', 'SID170465628', 'isoflupredone-acetate', 'Isoflupredone acetate', 'SID56463338', 'U-6013', 'isoflupredone-acetate', None]
Withdrawn Flag	False
Orphan	0